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Atomic-orbital Based Ab-initio Computation at UStc
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Public Member Functions | Public Attributes | List of all members
Gint_inout Class Reference

#include <gint_tools.h>

Collaboration diagram for Gint_inout:

Public Member Functions

 Gint_inout (double **rho_in, Gint_Tools::job_type job_in, const int &nspin_rho_in, bool if_symm_in=true)
 
 Gint_inout (const int ispin_in, const double *vl_in, bool isforce_in, bool isstress_in, ModuleBase::matrix *fvl_dphi_in, ModuleBase::matrix *svl_dphi_in, Gint_Tools::job_type job_in)
 
 Gint_inout (const int ispin_in, const double *vl_in, const double *vofk_in, const bool isforce_in, const bool isstress_in, ModuleBase::matrix *fvl_dphi_in, ModuleBase::matrix *svl_dphi_in, Gint_Tools::job_type job_in)
 
 Gint_inout (const double *vl_in, int ispin_in, Gint_Tools::job_type job_in)
 
 Gint_inout (const double *vl_in, const double *vofk_in, int ispin_in, Gint_Tools::job_type job_in)
 
 Gint_inout (const double *vl_in, Gint_Tools::job_type job_in)
 
 Gint_inout (const double *vl_in, const double *vofk_in, Gint_Tools::job_type job_in)
 

Public Attributes

double *** DM =nullptr
 
const double * vl =nullptr
 
const double * vofk =nullptr
 
bool isforce =false
 
bool isstress =false
 
int ispin =0
 
int nspin_rho =0
 
bool if_symm = false
 
double ** rho =nullptr
 
ModuleBase::matrixfvl_dphi =nullptr
 
ModuleBase::matrixsvl_dphi =nullptr
 
Gint_Tools::job_type job
 

Constructor & Destructor Documentation

◆ Gint_inout() [1/7]

Gint_inout::Gint_inout ( double **  rho_in,
Gint_Tools::job_type  job_in,
const int &  nspin_rho_in,
bool  if_symm_in = true 
)
inline

◆ Gint_inout() [2/7]

Gint_inout::Gint_inout ( const int  ispin_in,
const double *  vl_in,
bool  isforce_in,
bool  isstress_in,
ModuleBase::matrix fvl_dphi_in,
ModuleBase::matrix svl_dphi_in,
Gint_Tools::job_type  job_in 
)
inline

◆ Gint_inout() [3/7]

Gint_inout::Gint_inout ( const int  ispin_in,
const double *  vl_in,
const double *  vofk_in,
const bool  isforce_in,
const bool  isstress_in,
ModuleBase::matrix fvl_dphi_in,
ModuleBase::matrix svl_dphi_in,
Gint_Tools::job_type  job_in 
)
inline

◆ Gint_inout() [4/7]

Gint_inout::Gint_inout ( const double *  vl_in,
int  ispin_in,
Gint_Tools::job_type  job_in 
)
inline

◆ Gint_inout() [5/7]

Gint_inout::Gint_inout ( const double *  vl_in,
const double *  vofk_in,
int  ispin_in,
Gint_Tools::job_type  job_in 
)
inline

◆ Gint_inout() [6/7]

Gint_inout::Gint_inout ( const double *  vl_in,
Gint_Tools::job_type  job_in 
)
inline

◆ Gint_inout() [7/7]

Gint_inout::Gint_inout ( const double *  vl_in,
const double *  vofk_in,
Gint_Tools::job_type  job_in 
)
inline

Member Data Documentation

◆ DM

double*** Gint_inout::DM =nullptr

◆ fvl_dphi

ModuleBase::matrix* Gint_inout::fvl_dphi =nullptr

◆ if_symm

bool Gint_inout::if_symm = false

◆ isforce

bool Gint_inout::isforce =false

◆ ispin

int Gint_inout::ispin =0

◆ isstress

bool Gint_inout::isstress =false

◆ job

Gint_Tools::job_type Gint_inout::job

◆ nspin_rho

int Gint_inout::nspin_rho =0

◆ rho

double** Gint_inout::rho =nullptr

◆ svl_dphi

ModuleBase::matrix* Gint_inout::svl_dphi =nullptr

◆ vl

const double* Gint_inout::vl =nullptr

◆ vofk

const double* Gint_inout::vofk =nullptr

The documentation for this class was generated from the following file: